2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline

C14H21FN2O — CID 114112982

IUPAC2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline
SMILESCOCCC1(CNCc2ccc(N)c(F)c2)CC1
InChIInChI=1S/C14H21FN2O/c1-18-7-6-14(4-5-14)10-17-9-11-2-3-13(16)12(15)8-11/h2-3,8,17H,4-7,9-10,16H2,1H3
InChIKeyVPSGEJCXZVZOBF-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.31
Rot. Bonds7

About 2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline

2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline (PubChem CID 114112982) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline
PubChem CID114112982
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline
SMILESCOCCC1(CNCc2ccc(N)c(F)c2)CC1
InChIInChI=1S/C14H21FN2O/c1-18-7-6-14(4-5-14)10-17-9-11-2-3-13(16)12(15)8-11/h2-3,8,17H,4-7,9-10,16H2,1H3
InChIKeyVPSGEJCXZVZOBF-UHFFFAOYSA-N
XLogP2.31
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802392
1-(3-bromophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802419
N,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline
CID 103802259
1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 114099677
1-(furan-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 115735952
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine
CID 115735920
3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline
CID 114112981
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
CID 103802464
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 103802368
1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 71918772
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103802421
1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine
CID 114112814

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline?
The IUPAC name of 2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline (CID 114112982) is 2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline.
What is the SMILES notation for 2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline?
The canonical SMILES for 2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline is COCCC1(CNCc2ccc(N)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline?
The InChIKey is VPSGEJCXZVZOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-18-7-6-14(4-5-14)10-17-9-11-2-3-13(16)12(15)8-11/h2-3,8,17H,4-7,9-10,16H2,1H3.
What are the key properties of 2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline?
2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline has a molecular weight of 252.33 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline is sourced from PubChem (CID 114112982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).